Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.51 |
| ▸ | GRN | P28799 | 1/20 | 0.50 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.47 |
| ▸ | CTSG | P08311 | 1/20 | 0.47 |
| ▸ | CMA1 | P23946 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CCR1 | P32246 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29144589 | 1.00 | PIN1 (0.53) | PIN1LTA4HITGB3ITGA2BGRN | |
| SCHEMBL7029711 | 0.93 | LTA4H (0.60) | PIN1LTA4HGRNSORT1EPHX2 | |
| SCHEMBL24530131 | 0.87 | YAP1 (0.49) | HDAC6ALDH1A1CYP2C19CCR1GAA | |
| SCHEMBL29144580 | 0.83 | CTSL (0.56) | ITGB3ITGA2B | |
| SCHEMBL19790129 | 0.81 | F2 (0.51) | HDAC2HDAC8HDAC6ALDH1A1CYP2C19 | |
| SCHEMBL12278423 | 0.81 | F2 (0.51) | HDAC2HDAC8HDAC6ALDH1A1CYP2C19 | |
| SCHEMBL5458748 | 0.80 | ITGB3 (0.65) | PIN1ITGB3ITGA2BHDAC2HDAC8 | |
| SCHEMBL24533898 | 0.80 | PIN1 (0.59) | PIN1ITGB3ITGA2BHDAC2HDAC8 | |
| SCHEMBL4153095 | 0.80 | ITGB3 (0.65) | PIN1ITGB3ITGA2BHDAC2HDAC8 | |
| SCHEMBL4153101 | 0.80 | ITGB3 (0.65) | PIN1ITGB3ITGA2BHDAC2HDAC8 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117136178-A | SARS-COV-2 Mpro inhibitor compounds | 赫帕雷斯治疗有限公司 | 2023-11-28 | — | — | CN | disclosed |
| EP-4263502-A1 | SARS-COV-2 MPRO INHIBITOR COMPOUNDS | Heptares Therapeutics Limited (GB) | 2023-10-25 | — | — | EP | disclosed |
| WO-2022129953-A1 | SARS-COV-2 MPRO INHIBITOR COMPOUNDS | HEPTARES THERAPEUTICS LIMITED (GB) | 2022-06-23 | — | — | WO | disclosed |
| WO-2022129953-A1 | SARS-COV-2 MPRO INHIBITOR COMPOUNDS | HEPTARES THERAPEUTICS LIMITED (GB) | 2022-06-23 | — | — | WO | disclosed |